3-[(2-azanyl-4-chloranyl-phenyl)sulfanyl-(4-nitrophenyl)methyl]pentane-2,4-dione

Systemtic Name: 3-[(2-azanyl-4-chloranyl-phenyl)sulfanyl-(4-nitrophenyl)methyl]pentane-2,4-dione Openeye Name: 3-[(2-amino-4-chloro-phenyl)sulfanyl-(4-nitrophenyl)methyl]pentane-2,4-dione CAS Name: 3-[[(2-amino-4-chlorophenyl)thio]-(4-nitrophenyl)methyl]pentane-2,4-dione IUPAC Name: 3-[(2-amino-4-chlorophenyl)sulfanyl-(4-nitrophenyl)methyl]pentane-2,4-dione Traditional Name: 3-[[(2-amino-4-chloro-phenyl)thio]-(4-nitrophenyl)methyl]pentane-2,4-dione Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])SC2=C(C=C(C=C2)Cl)N)C(=O)C

Isomeric SMILES

CC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])SC2=C(C=C(C=C2)Cl)N)C(=O)C

InChI

InChI=1S/C18H17ClN2O4S/c1-10(22)17(11(2)23)18(12-3-6-14(7-4-12)21(24)25)26-16-8-5-13(19)9-15(16)20/h3-9,17-18H,20H2,1-2H3